1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane

C16H32O4 — CID 19906449

IUPAC1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane
SMILESCC(C)(C)OOC1(C)CCC(C)(OOC(C)(C)C)CC1
InChIInChI=1S/C16H32O4/c1-13(2,3)17-19-15(7)9-11-16(8,12-10-15)20-18-14(4,5)6/h9-12H2,1-8H3
InChIKeyKVPKGAFEIYMIFE-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.57
Rot. Bonds4

About 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane

1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane (PubChem CID 19906449) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane
PubChem CID19906449
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane
SMILESCC(C)(C)OOC1(C)CCC(C)(OOC(C)(C)C)CC1
InChIInChI=1S/C16H32O4/c1-13(2,3)17-19-15(7)9-11-16(8,12-10-15)20-18-14(4,5)6/h9-12H2,1-8H3
InChIKeyKVPKGAFEIYMIFE-UHFFFAOYSA-N
XLogP4.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,4-Bis(tert-butylperoxy)-1-propylcyclohexane
CID 87901763
4-Methyl-1,1-bis(2-methylbutan-2-ylperoxy)cyclohexane
CID 101294626
4-Methyl-1,1-bis(2-methylpentan-2-ylperoxy)cyclohexane
CID 101294652
1,4-Dihydroperoxy-1,4-dimethylcyclohexane
CID 141414121
1,4-Bis(tert-butylperoxy)-1,4-dimethylcyclohexane;3,6-bis(tert-butylperoxy)-3,6-dimethylcyclohexyne
CID 174806781
1,1-Bis(tert-butylperoxy)cyclohexane;1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane
CID 174806808
4-Methyl-1,1-bis(3-methylpentan-3-ylperoxy)cyclohexane
CID 101294679
4-Methyl-1,1-bis(2-methylhexan-2-ylperoxy)cyclohexane
CID 101294708
4-Methyl-1,1-bis(3-methylhexan-3-ylperoxy)cyclohexane
CID 101294737
1,1-Bis(3-ethylpentan-3-ylperoxy)-4-methylcyclohexane
CID 101294766
4-Methyl-1,1-bis(2-methylheptan-2-ylperoxy)cyclohexane
CID 101294792
1,1-Bis(3-ethylhexan-3-ylperoxy)-4-methylcyclohexane
CID 101294820

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane?
The IUPAC name of 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane (CID 19906449) is 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane.
What is the SMILES notation for 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane?
The canonical SMILES for 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane is CC(C)(C)OOC1(C)CCC(C)(OOC(C)(C)C)CC1.
What is the InChIKey of 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane?
The InChIKey is KVPKGAFEIYMIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-13(2,3)17-19-15(7)9-11-16(8,12-10-15)20-18-14(4,5)6/h9-12H2,1-8H3.
What are the key properties of 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane?
1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane has a molecular weight of 288.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(tert-butylperoxy)-1,4-dimethylcyclohexane is sourced from PubChem (CID 19906449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).